Structure of PDB 5vi0 Chain A Binding Site BS03

Receptor Information
>5vi0 Chain A (length=357) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPALKEIFNVERLQHIASEMTAVYPAFDAKGFLKHAKAGLAELSVMQRM
ARVSESLHAVIPLDYPQTLTLLYALAPRLNSGFVSLFLPHYVASYGRDDF
KRSMAALKYFTTFGSAEFAIRHFLLHDFQRTLAVMQAWSQDDNEHVRRLA
SEGSRPRLPWSFRLAEVQADPELCASILDHLKADSSLYVRKSVANHLNDI
TKDHPEWVLSLIEGWNLENPHTAWIARHALRSLIKQGNTRALTLMGAEVK
IHHLMVTPAVINLGERINLSFTLESTAPAPQKLVVDYAIDYVKSTGHGAA
KVFKLKAFSLGAGAQQHIRREQHIRDMTTRKHYPGRHVVHVLVNGERLGS
AEFELRA
Ligand information
Ligand IDP4K
InChIInChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
InChIKeyWWPGFZAAWXFBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
FormulaC30 H62 O15
Namepolyethylene glycol;
3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
ChEMBL
DrugBank
ZINC
PDB chain5vi0 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5vi0 Selective base excision repair of DNA damage by the non-base-flipping DNA glycosylase AlkC.
Resolution2.396 Å
Binding residue
(original residue number in PDB)		S85 G86 F87 H149 W164 Y192
Binding residue
(residue number reindexed from 1)		S81 G82 F83 H145 W160 Y188
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links